methyl 2-[2-(aminocarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(aminocarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(2-oxo-2-ureido-ethyl)sulfanyl-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[[2-(carbamoylamino)-2-oxoethyl]thio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[(2-keto-2-ureido-ethyl)thio]-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC(=O)N)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC(=O)N)CCC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O5S/c1-30-19(28)14-7-8-15-16(11-14)23-21(31-12-17(26)24-20(22)29)25(18(15)27)10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H3,22,24,26,29)